CID 175468

12-bromododecanoic acid

Structural Information

Molecular Formula
C12H23BrO2
SMILES
C(CCCCCC(=O)O)CCCCCBr
InChI
InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
InChIKey
YYKBWYBUCFHYPR-UHFFFAOYSA-N
Compound name
12-bromododecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

884
Patents

278.08813 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09541 162.8
[M+Na]+ 301.07735 170.6
[M-H]- 277.08085 163.3
[M+NH4]+ 296.12195 181.9
[M+K]+ 317.05129 158.7
[M+H-H2O]+ 261.08539 162.3
[M+HCOO]- 323.08633 180.3
[M+CH3COO]- 337.10198 196.1
[M+Na-2H]- 299.06280 165.8
[M]+ 278.08758 184.0
[M]- 278.08868 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.